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1597-01-9 | 2,4-Pyrimidinediamine, 6-methyl-5-(4-phenylbutyl)-
CAS No: 1597-01-9 Catalog No: AG001RBQ MDL No:
Product Description
Catalog Number:
AG001RBQ
Chemical Name:
2,4-Pyrimidinediamine, 6-methyl-5-(4-phenylbutyl)-
CAS Number:
1597-01-9
Molecular Formula:
C15H20N4
Molecular Weight:
256.3461
IUPAC Name:
6-methyl-5-(4-phenylbutyl)pyrimidine-2,4-diamine
InChI:
InChI=1S/C15H20N4/c1-11-13(14(16)19-15(17)18-11)10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H4,16,17,18,19)
InChI Key:
FNJDMUJSPSCFQC-UHFFFAOYSA-N
SMILES:
Nc1nc(C)c(c(n1)N)CCCCc1ccccc1
UNII:
L06TDN89AB
NSC Number:
125347
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.169g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.353g/mol
Monoisotopic Mass:
256.169g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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